SCHEMBL8398382

SCHEMBL8398382

CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N([C@H](C)CNCCNC[C@@H](C)N1C(=O)c3cccc4cc(NC(C)=O)cc(c34)C1=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.54
▸ FTO Q9C0B1 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 5/20 0.40
▸ TYMS P04818 2/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ OGA O60502 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8671345 0.83 KLK7 (0.52) KLK7FTOKDM4EALDH1A1MAPT
Bisnafide SCHEMBL9135739 0.77 FTO (0.61) FTOKDM4EMAPTKMT2AMEN1
Bisnafide SCHEMBL29617562 0.77 FTO (0.61) FTOKDM4EMAPTKMT2AMEN1
Bisnafide SCHEMBL9135370 0.77 FTO (0.61) FTOKDM4EMAPTKMT2AMEN1
Bisnafide SCHEMBL9136305 0.77 FTO (0.61) FTOKDM4EMAPTKMT2AMEN1
SCHEMBL8395426 0.77 SIRT1 (0.65) KLK7FTOALDH1A1MAPTHPGD
Bisnafide SCHEMBL9136683 0.77 FTO (0.61) FTOKDM4EMAPTKMT2AMEN1
SCHEMBL9238619 0.76 FTO (0.60) FTOKDM4EMAPTKMT2AMEN1
SCHEMBL9348633 0.76 FTO (0.60) FTOKDM4EMAPTKMT2AMEN1
SCHEMBL9352511 0.76 FTO (0.60) FTOKDM4EMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981753-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 — — US disclosed
US-5616589-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 — — US disclosed
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